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Chemical ID: 5019324
Chemical ID:
5019324
Name [?]:
2-phenyloctan-2-ol
SMILES [?]:
CCCCCCC(C)(c1ccccc1)O
InChi [?]:
InChI=1/C14H22O/c1-3-4-5-9-12-14(2,15)13-10-7-6-8-11-13/h6-8,10-11,15H,3-5,9,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,2,3,4,12,11,13,5,10,14,6,9,7,15/E:(7,8)(10,11)/rA:15cCCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s7;s9;d10;s11;d12;d9s13;s7;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H22O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.13243 |
Area: | 422.684 |
Solvation: | -1.43466 |
Coulombic: | -20.7492 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 206.324 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.48 |
LogP (Chemaxon): | 4.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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